Question
Question: Why is $d_{x^2-y^2}$ in $dsp^2$ hybridization and not the other d orbitals?...
Why is dx2−y2 in dsp2 hybridization and not the other d orbitals?
The dx2−y2 orbital is used because its lobes are directed along the x and y axes, which align with the positions of ligands in a square planar geometry, allowing for strong sigma bond formation.
The dz2 orbital is used because it is oriented along the z-axis, which is suitable for square planar geometry.
The dxy orbital is used because its lobes are oriented between the x and y axes, providing better overlap in square planar arrangements.
Any d orbital can be used in dsp2 hybridization as their orientations are interchangeable.
The dx2−y2 orbital is used because its lobes are directed along the x and y axes, which align with the positions of ligands in a square planar geometry, allowing for strong sigma bond formation.
Solution
In dsp2 hybridization, which leads to a square planar geometry, four hybrid orbitals are formed and directed towards the corners of a square in a plane (e.g., the xy plane). The dx2−y2 atomic orbital has its lobes oriented precisely along the x and y axes. This specific orientation allows for maximum head-on overlap with ligand orbitals positioned along these axes, facilitating the formation of strong sigma bonds. The other d orbitals, such as dxy (lobes between axes), dyz and dxz (lobes in perpendicular planes), and dz2 (lobes along the z-axis), are not optimally aligned for direct overlap with ligands in this square planar arrangement.